SCHEMBL6946388

SCHEMBL6946388

CN1C(=O)N(CCCC(CBr)C(=O)O)C(=O)C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.40
MMP9 P14780 8/20 0.40
MMP3 P08254 8/20 0.40
MMP13 P45452 7/20 0.40
PLA2G7 Q13093 2/20 0.40
MMP1 P03956 8/20 0.36
MMP7 P09237 2/20 0.36
MMP14 P50281 2/20 0.36
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
MMP8 P22894 5/20 0.33
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
ADAM17 P78536 1/20 0.31
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6952033 0.85 MMP3 (0.40) MMP2MMP9MMP3MMP13PLA2G7
SCHEMBL7221727 0.83 MMP2 (0.37) MMP2MMP9MMP3MMP13PLA2G7
SCHEMBL6952582 0.82 MMP2 (0.38) MMP2MMP9MMP3MMP13PLA2G7
SCHEMBL6947897 0.81 CPB2 (0.48) MMP2MMP9MMP3MMP13PLA2G7
SCHEMBL7028144 0.79 MMP2 (0.44) MMP2MMP9MMP3MMP13PLA2G7
SCHEMBL7974062 0.78 MMP2 (0.31) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7078769 0.77 MMP2 (0.36) MMP2MMP9MMP3MMP13PLA2G7
SCHEMBL7977189 0.76 PLA2G7 (0.39) MMP2MMP9MMP3MMP13PLA2G7
SCHEMBL4818302 0.76 PLA2G7 (0.43) MMP2MMP9MMP3MMP13PLA2G7
SCHEMBL4822556 0.76 PLA2G7 (0.43) MMP2MMP9MMP3MMP13PLA2G7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030836-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2003-01-29 EP disclosed
US-6187924-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TUMOR NECROSIS FACTOR-ALPHA-MEDIATED DISEASES DARWIN DISCOVERY, LTD. (GB) 2001-02-13 US disclosed
EP-1030836-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-08-30 EP disclosed
WO-1999024399-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1999-05-20 WO disclosed